Dataset

Terfenadine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000471 contains the MS mass spectrum of Terfenadine with the InChIkey GUGOEEXESWIERI-UHFFFAOYSA-N.

InChI	InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3
SMILES	C(c(c4)cccc4)(c(c3)cccc3)(C(C2)CCN(C2)CCCC(O)c(c1)ccc(C(C)(C)C)c1)O
InChI Key	GUGOEEXESWIERI-UHFFFAOYSA-N
Molecular Formula	C32H41NO2
Exact Mass	471.314 g/mol

Data and Resources

Related Molecule ⌄

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000471
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB00342	drugbank
CHEBI:9453	chebi
CHEMBL17157	chembl
5152	surechembl
5405	pubchem
7BA5G9Y06Q	fdasrs
2608	gtopdb
PD000887	probes_and_drugs
230135	brenda
230136	brenda
36985	brenda
HMDB0014486	hmdb
DTXSID2023642	comptox
NCT01601522	clinicaltrials
NCT02577029	clinicaltrials
NCT02604199	clinicaltrials
NCT02604212	clinicaltrials
NCT02688985	clinicaltrials
NCT02738008	clinicaltrials
NCT02797522	clinicaltrials
NCT03258593	clinicaltrials
NCT04179461	clinicaltrials
NCT04544436	clinicaltrials
NCT04548999	clinicaltrials
NCT04568902	clinicaltrials
NCT04660799	clinicaltrials
NCT04743661	clinicaltrials
NCT05206227	clinicaltrials
NCT05319730	clinicaltrials
NCT06305754	clinicaltrials
NCT06406153	clinicaltrials
Molport-002-904-065	molport
2600	drugcentral
50017376	bindingdb
The data in this table is sourced from UniChem at EBI.